AUTOHD

AUTOHD analyzes hydrogen/deuterium (H/D) exchange mass spectra to quantify deuterium incorporation and support studies of protein conformational dynamics.

Key Features:

• Automated Peptide Identification: A computer algorithm automatically identifies peptides in mass spectra from enzymatic digests or fragment ions produced by collisionally induced dissociation (CID) or electron capture dissociation (ECD).
• Extent of Deuterium Incorporation: Quantifies the extent of deuterium incorporation in peptides to inform on protein dynamics and stability.
• Isotopic Distribution Analysis: Compares measured isotopic distributions against calculated distributions using fast Fourier transform (FFT) to determine deuterium incorporation levels without reliance on undeuterated control samples.
• High-Resolution Mass Spectrometry Compatibility: Supports high mass-resolving power instruments such as Fourier transform ion cyclotron resonance (FTICR) for analysis of complex samples including myoglobin peptic digests and substance P spectra.
• Independence from Control Samples: Performs analysis without requiring undeuterated control samples.

Scientific Applications:

• Protein Conformational Dynamics: Enables analysis of H/D exchange data to study protein folding, stability, and interactions.
• Structural Biology: Provides peptide-level information on structural and dynamic behavior under varying conditions.
• High-Throughput Studies: The automated analysis capabilities support large-scale studies of protein dynamics across multiple samples or conditions.

Methodology:

AUTOHD uses a computer algorithm to identify peptides from enzymatic digests or CID/ECD fragment ions and compares measured isotopic distributions to FFT-calculated theoretical distributions to quantify deuterium incorporation.